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The transport of particles across lipid-bilayer membranes is important for biological cells to exchange information and material with their environment. Large particles often get wrapped by membranes, a process which has been intensively…

Soft Condensed Matter · Physics 2024-06-04 Jiarul Midya , Thorsten Auth , Gerhard Gompper

Using binary hard disk mixture models, we studied the two-dimensional ordering of bacteriorhodopsins in a lipid bilayer. The phase diagrams were calculated using the thermodynamic perturbation theory. We examined two types of effective…

Soft Condensed Matter · Physics 2022-12-08 Keiju Suda Ayumi Suematsu Ryo Akiyama

In biomimetic and biological systems, interactions between surfaces are often mediated by adhesive molecules, nanoparticles, or colloids dispersed in the surrounding solution. We present here a general, statistical-mechanical model for two…

Soft Condensed Matter · Physics 2009-11-13 Bartosz Rozycki , Reinhard Lipowsky , Thomas R. Weikl

An analytically solvable model of unsaturated lipid bilayer is derived by introducing finite bending angle of the unsaturated bond relative to straight part of the lipid chain considered previously in our model of semi-flexible strings. It…

Soft Condensed Matter · Physics 2024-07-18 Boris Kheyfets , Sergei Mukhin

We formulate a simple effective model to describe molecular interactions in a lipid monolayer. The model represents lipid molecules in terms of two-dimensional anisotropic particles on the plane of the monolayer. These particles interact…

Soft Condensed Matter · Physics 2019-10-02 E. Velasco , L. Mederos

Cationic lipid membranes are known to form compact complexes with DNA and to be effective as gene delivery agents both in vitro and in vivo. Here we employ molecular dynamics simulations for a detailed atomistic study of lipid bilayers…

Soft Condensed Matter · Physics 2009-11-10 A. A. Gurtovenko , Michael Patra , Mikko Karttunen , Ilpo Vattulainen

In this work, an improved methodology for studying interactions of proteins in solution by small-angle scattering, is presented. Unlike the most common approach, where the protein-protein correlation functions $g_{ij}(r)$ are approximated…

Statistical Mechanics · Physics 2009-11-07 Francesco Spinozzi , Domenico Gazzillo , Achille Giacometti , Paolo Mariani , Flavio Carsughi

Hydrophobic thickness mismatch between integral membrane proteins and the surrounding lipid bilayer can produce lipid bilayer thickness deformations. Experiment and theory have shown that protein-induced lipid bilayer thickness deformations…

Biomolecules · Quantitative Biology 2016-11-04 Osman Kahraman , Peter D. Koch , William S. Klug , Christoph A. Haselwandter

Differential microcalorimetric measurements have been performed in aqueous dispersions of dimyristoylphosphatidylcholine (DMPC) multilamellar vesicles in a wide range of temperatures covering the whole transition between the lamellar gel…

Soft Condensed Matter · Physics 2007-05-23 Dmitry P. Kharakoz , Maria S. Panchelyuga , Elizaveta I. Tiktopulo , Elena A. Shlyapnikova

In this paper, we present a continuation of our research on modeling electrolyte solutions within charged slit pores. We make use of the model developed by Blossey et al., which takes into account the structural interactions between ions…

Soft Condensed Matter · Physics 2023-07-26 Victoria A. Vasileva , Daria A. Mazur , Yury A. Budkov

Water-phospholipid interactions at the lipid bilayer/water interfaces are of essential importance for the dynamics, stability and function of biological membrane, and are also strongly associated with numerous biological processes at the…

Soft Condensed Matter · Physics 2018-01-04 Jianjun Jiang , Weixin Li , Liang Zhao , Yuanyan Wu , Peng Xiu , Guoning Tang , Yusong Tu

We have investigated interlayer interactions in the bilayer PtTe$_{2}$ system, which influence the electronic energy bands near the Fermi levels. Our diffusion Monte Carlo (DMC) calculations for the high-symmetry bilayer stackings (AA, AB,…

Materials Science · Physics 2024-04-22 Jeonghwan Ahn , Seoung-Hun Kang , Mina Yoon , Jaron T. Krogel

In tissues, cells in direct physical contact with each other can exchange ions or molecules via protein clusters called gap junctions that form channels across the membranes of adjacent cells. Here, we use a simplified biomimetic approach,…

We study the influence of truncating the electrostatic interactions in a fully hydrated pure dipalmitoylphosphatidylcholine (DPPC) bilayer through 20 ns molecular dynamics simulations. The computations in which the electrostatic…

Soft Condensed Matter · Physics 2009-11-07 M. Patra , M. Karttunen , M. Hyvonen , E. Falck , P. Lindqvist , I. Vattulainen

We report Monte Carlo results for the fluid structure of a system of dimeric particles interacting via a core-softened potential. More specifically, dimers interact through a repulsive pair potential of inverse-power form, modified in such…

Soft Condensed Matter · Physics 2016-03-08 Gianmarco Munaò , Franz Saija

We report the first lattice QCD study of the $s$-wave scattering of the $\bar{D}$-meson and the nucleon at the physical point, utilizing (2+1)-flavor configurations generated by the HAL QCD collaboration with a pion mass of $m_\pi\simeq…

High Energy Physics - Lattice · Physics 2026-03-13 Wren Yamada , Yan Lyu , Kotaro Murakami , Takumi Doi

Membrane proteins serve a wide range of vital roles in the functioning of living organisms. Compared to other classes of proteins, determining membrane protein structures remains a challenge, in large part due to the difficulty in…

The ordering of a multilayer consisting of DSPC bilayers on a silica sol substrate is studied within the model-independent approach to the reconstruction of profiles of the electron density from X-ray reflectometry data. It is found that…

Area per molecule in a DPPC-Cholesterol bilayers depends non-linearly on the cholesterol concentration. Using flexible strings model of lipid membranes we calculate area per molecule in DPPC-Cholesterol mixtures in the biologically relevant…

Soft Condensed Matter · Physics 2015-01-13 B. B. Kheyfets , S. I. Mukhin

We report a new and facile method for measuring edge tensions of lipid membranes. The approach is based on electroporation of giant unilamellar vesicles and analysis of the pore closure dynamics. We applied this method to evaluate the edge…

Biological Physics · Physics 2011-02-11 Thomas Portet , Rumiana Dimova